{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.400614 ] [ 0.666667 0.333333 0.900614 ] [ 0.666667 0.333333 0.599386 ] [ 0.333333 0.666667 0.099386 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "C" "C" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.20469544328 "source-unit" "angstrom" } "c" { "source-value" 11.26351052 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 179.8026074780893 "source-unit" "GPa" "source-std-uncert-value" 0.14406303435060863 } }